N-[(2-methylcyclopentyl)-phenylmethylidene]hydroxylamine

C13H17NO — CID 2802210

IUPACN-[(2-methylcyclopentyl)-phenylmethylidene]hydroxylamine
SMILESCC1CCCC1C(=NO)c1ccccc1
InChIInChI=1S/C13H17NO/c1-10-6-5-9-12(10)13(14-15)11-7-3-2-4-8-11/h2-4,7-8,10,12,15H,5-6,9H2,1H3
InChIKeyWESHMPKYQQWPMA-UHFFFAOYSA-N
MW203.29 g/mol
LogP3.30
Rot. Bonds2

About N-[(2-methylcyclopentyl)-phenylmethylidene]hydroxylamine

N-[(2-methylcyclopentyl)-phenylmethylidene]hydroxylamine (PubChem CID 2802210) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is N-[(2-methylcyclopentyl)-phenylmethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(2-methylcyclopentyl)-phenylmethylidene]hydroxylamine
PubChem CID2802210
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC NameN-[(2-methylcyclopentyl)-phenylmethylidene]hydroxylamine
SMILESCC1CCCC1C(=NO)c1ccccc1
InChIInChI=1S/C13H17NO/c1-10-6-5-9-12(10)13(14-15)11-7-3-2-4-8-11/h2-4,7-8,10,12,15H,5-6,9H2,1H3
InChIKeyWESHMPKYQQWPMA-UHFFFAOYSA-N
XLogP3.30
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclopentyl)-phenylmethylidene]hydroxylamine?
The IUPAC name of N-[(2-methylcyclopentyl)-phenylmethylidene]hydroxylamine (CID 2802210) is N-[(2-methylcyclopentyl)-phenylmethylidene]hydroxylamine.
What is the SMILES notation for N-[(2-methylcyclopentyl)-phenylmethylidene]hydroxylamine?
The canonical SMILES for N-[(2-methylcyclopentyl)-phenylmethylidene]hydroxylamine is CC1CCCC1C(=NO)c1ccccc1.
What is the InChIKey of N-[(2-methylcyclopentyl)-phenylmethylidene]hydroxylamine?
The InChIKey is WESHMPKYQQWPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-10-6-5-9-12(10)13(14-15)11-7-3-2-4-8-11/h2-4,7-8,10,12,15H,5-6,9H2,1H3.
What are the key properties of N-[(2-methylcyclopentyl)-phenylmethylidene]hydroxylamine?
N-[(2-methylcyclopentyl)-phenylmethylidene]hydroxylamine has a molecular weight of 203.29 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclopentyl)-phenylmethylidene]hydroxylamine is sourced from PubChem (CID 2802210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).